In the International Union of Pure and Applied Chemistry (IUPAC) mass spectrometry convention, a molecular ion is formed by removing or adding one or more Electrons to a molecule without fragmentation of its molecular structure.[ref]
molecular ion in mass spectrometry. Gold Book, fifth edition, molecular ion in mass spectrometry: formation by electron removal or addition without fragmentation
For example, removing one Electron from intact water gives : two hydrogen and one oxygen chemical atom, total electric charge , and an unpaired Electron, hence a radical cation. Atom inventory, net electric charge, and electronic state are separate pieces of information. Hydronium, , has a different inventory; it is a polyatomic ion, rather than the molecular ion obtained by electron removal from water. New to topics? Read the docs here!